N-[(1-ethylpyrazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine

C₁₃H₁₅N₇ — CID 104819670

About N-[(1-ethylpyrazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine

N-[(1-ethylpyrazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine (PubChem CID 104819670) has the molecular formula C₁₃H₁₅N₇ and a molecular weight of 269.31 g/mol. Its IUPAC name is N-[(1-ethylpyrazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine.

Molecular Properties

• Compound Name: N-[(1-ethylpyrazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine
• PubChem CID: 104819670
• Molecular Formula: C₁₃H₁₅N₇
• Molecular Weight: 269.31 g/mol
• Exact Mass: 269.14
• IUPAC Name: N-[(1-ethylpyrazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine
• SMILES: CCn1cc(CNc2cccnc2-n2cncn2)cn1
• InChI: InChI=1S/C13H15N7/c1-2-19-8-11(7-17-19)6-16-12-4-3-5-15-13(12)20-10-14-9-18-20/h3-5,7-10,16H,2,6H2,1H3
• InChIKey: IQFRNKKIGNVAPF-UHFFFAOYSA-N
• XLogP: 1.49
• TPSA: 73.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 20
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	269.31
LogP ≤ 5	1.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine?

The IUPAC name of N-[(1-ethylpyrazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine (CID 104819670) is N-[(1-ethylpyrazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine.

What is the SMILES notation for N-[(1-ethylpyrazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine?

The canonical SMILES for N-[(1-ethylpyrazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine is CCn1cc(CNc2cccnc2-n2cncn2)cn1.

What is the InChIKey of N-[(1-ethylpyrazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine?

The InChIKey is IQFRNKKIGNVAPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7/c1-2-19-8-11(7-17-19)6-16-12-4-3-5-15-13(12)20-10-14-9-18-20/h3-5,7-10,16H,2,6H2,1H3.

What are the key properties of N-[(1-ethylpyrazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine?

N-[(1-ethylpyrazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine has a molecular weight of 269.31 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1-ethylpyrazol-4-yl)methyl]-2-(1,2,4-triazol-1-yl)pyridin-3-amine is sourced from PubChem (CID 104819670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 104819670 — identifiers, structure, computed properties (public domain)

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